%chk=000208942.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208942

0 1
O 1.591953 1.178349 -0.886076
N -1.401833 -0.211976 -0.813235
N -3.174108 2.819123 0.522405
N -1.180738 -2.580624 -0.866416
C -1.597841 0.999442 0.033679
C -0.254268 -0.133783 -1.755182
C -2.832244 1.767748 -0.489615
C 1.063357 -0.134428 -1.065159
C -1.778626 -1.471358 -0.302859
C 1.887841 -1.088591 -0.549474
C 3.037038 -0.399669 0.005088
C 2.811832 0.989111 -0.225839
C -4.616183 3.194982 0.423855
C -2.313043 4.027529 0.353180
C -2.806800 -1.595161 0.671982
C 4.210405 -0.789032 0.658928
C 3.694942 1.995770 0.159725
C 5.106201 0.204118 1.053528
C 4.853673 1.570487 0.808471
C -3.220280 -2.868600 1.044911
C -1.617791 -3.805495 -0.482707
C -2.629001 -3.999757 0.467333
H -1.739264 0.735256 1.107045
H -0.690294 1.645387 0.003769
H -0.374814 0.794579 -2.365731
H -0.304243 -0.998134 -2.470401
H -2.635323 2.168799 -1.504999
H -3.685850 1.062534 -0.598294
H 1.727975 -2.152472 -0.541327
H -5.233907 2.307297 0.635312
H -4.923032 3.610308 -0.546866
H -4.845761 3.938138 1.204814
H -2.535483 4.739356 1.164583
H -2.430723 4.550744 -0.606827
H -1.255349 3.738072 0.461040
H -3.266858 -0.713555 1.110729
H 4.412057 -1.840218 0.851304
H 3.487534 3.042154 -0.036828
H 6.026284 -0.075576 1.564306
H 5.584864 2.309394 1.135738
H -4.008423 -2.987289 1.789587
H -1.117465 -4.654287 -0.964954
H -2.942611 -4.998472 0.748476


%chk=000208942-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208942

0 1
O 1.662500 1.210462 -0.585975
N -1.266221 -0.209973 -0.478015
N -3.369155 2.848468 0.415141
N -1.336853 -2.541091 -0.834716
C -1.643836 1.027579 0.226387
C -0.215092 -0.124245 -1.520451
C -2.916236 1.681111 -0.373172
C 1.179751 -0.085237 -0.966550
C -1.822366 -1.446912 -0.153874
C 2.128487 -1.052470 -0.703397
C 3.286796 -0.385828 -0.129713
C 2.961375 1.002884 -0.073852
C -4.769659 3.215261 0.117097
C -2.465941 4.013708 0.305534
C -2.852582 -1.585181 0.835757
C 4.558908 -0.804117 0.337286
C 3.825449 1.992835 0.413564
C 5.446885 0.173231 0.834797
C 5.087973 1.551398 0.872961
C -3.357974 -2.866683 1.110616
C -1.856016 -3.766779 -0.553521
C -2.861033 -3.994755 0.409481
H -1.815293 0.831798 1.300509
H -0.785326 1.717863 0.165351
H -0.394258 0.783187 -2.127083
H -0.313189 -1.015494 -2.159392
H -2.720701 1.942527 -1.446600
H -3.728368 0.930632 -0.370998
H 1.997341 -2.116251 -0.889838
H -5.427643 2.344379 0.286192
H -4.924754 3.567064 -0.934669
H -5.093192 4.024472 0.796444
H -2.843119 4.830808 0.945683
H -2.381648 4.403506 -0.741327
H -1.452753 3.755713 0.657126
H -3.246939 -0.716894 1.369466
H 4.846655 -1.860383 0.313322
H 3.536956 3.047533 0.435566
H 6.434236 -0.129221 1.200637
H 5.802395 2.283282 1.265044
H -4.141942 -2.985680 1.866997
H -1.434059 -4.598352 -1.131198
H -3.235761 -5.003954 0.600382


